PubMed · 6168238
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B R Reid. 1981. NMR studies on RNA structure and dynamics.. https://doi.org/10.1146/annurev.bi.50.070181.004541
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H-bonding in the title monoesters affects the most utilized types of spectrometries-infrared (IR) and nuclear magnetic resonance (NMR). The shifts of the three kinds of A-H stretching bands to lower wavenumbers in the vibrational spectra, and the 1H chemical shifts, which are to the low field, are observed and reasonably explained in this paper.
In order to provide theoretical evidence for the existence and effect of NH-S hydrogen bonding in the zinc enzyme model complex [Zn(S-2-C6H4NHCOC6H5)2(1-MeIm)2] (1-MeIm = 1-methylimidazole) in addition to the spectroscopic and crystallographic investigations, normal coordinate analysis (NCA) was carried out using a modified Urey-Bradley force field. The vibrational frequencies of the complex with and without the NH-S hydrogen bonding as well as the corresponding internal coordinates were obtained. The good agreement found between the calculated and observed frequencies in the presence of the NH-S hydrogen bond, supports the reliability of the analysis. The stretching force constant of the NH-S hydrogen bond obtained from the calculation is 0.18 mdyne per A. The calculation shows that the N-H bond is weakened by formation of the NH-S hydrogen bond. The results are indicative of the existence of the NH-S hydrogen bond in the complex.
In spite of much work, many of the properties of water remain puzzling. A fluctuating network of water molecules, with localised icosahedral symmetry, is proposed to exist derived from clusters containing, if complete, 280 fully hydrogen-bonded molecules. These are formed by the regular arrangement of identical units of 14 water molecules that can tessellate locally, by changing centres, in three-dimensions and interconvert between lower and higher density forms. The structure allows explanation of many of the anomalous properties of water including its temperature-density and pressure-viscosity behaviour, the radial distribution pattern, the presence of both pentamers and hexamers, the change in properties and 'two-state' model on supercooling and the solvation properties of ions, hydrophobic molecules, carbohydrates and macromolecules. The model described here offers a structure on to which large molecules can be mapped in order to offer insights into their interactions.